methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate

C16H19NO2 — CID 658349

IUPACmethyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate
SMILESCOC(=O)Cn1c2c(c3cc(C)ccc31)CCCC2
InChIInChI=1S/C16H19NO2/c1-11-7-8-15-13(9-11)12-5-3-4-6-14(12)17(15)10-16(18)19-2/h7-9H,3-6,10H2,1-2H3
InChIKeyRKXBPVJQGGGHCO-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.00
Rot. Bonds2

About methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate

methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate (PubChem CID 658349) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate
PubChem CID658349
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate
SMILESCOC(=O)Cn1c2c(c3cc(C)ccc31)CCCC2
InChIInChI=1S/C16H19NO2/c1-11-7-8-15-13(9-11)12-5-3-4-6-14(12)17(15)10-16(18)19-2/h7-9H,3-6,10H2,1-2H3
InChIKeyRKXBPVJQGGGHCO-UHFFFAOYSA-N
XLogP3.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate?
The IUPAC name of methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate (CID 658349) is methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate.
What is the SMILES notation for methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate?
The canonical SMILES for methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate is COC(=O)Cn1c2c(c3cc(C)ccc31)CCCC2.
What is the InChIKey of methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate?
The InChIKey is RKXBPVJQGGGHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-8-15-13(9-11)12-5-3-4-6-14(12)17(15)10-16(18)19-2/h7-9H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate?
methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate has a molecular weight of 257.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)acetate is sourced from PubChem (CID 658349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).